{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.534131 0.326344 ] [ 0.75 0.465869 0.673655 ] [ 0.25 0.034131 0.173656 ] [ 0.75 0.965869 0.826345 ] [ 0.25 0.642292 0.93074 ] [ 0.25 0.142292 0.56926 ] [ 0.75 0.357708 0.06926 ] [ 0.75 0.857708 0.43074 ] [ 0.25 0.202826 0.893144 ] [ 0.75 0.797174 0.106856 ] [ 0.75 0.297174 0.393144 ] [ 0.25 0.702826 0.606856 ] [ 0.25 0.793363 0.472748 ] [ 0.75 0.206637 0.527252 ] [ 0.25 0.293363 0.027252 ] [ 0.75 0.706637 0.972748 ] [ 0.25 0.50286 0.582607 ] [ 0.75 0.49714 0.417393 ] [ 0.25 0.00286 0.917393 ] [ 0.75 0.99714 0.082607 ] [ 0.016907 0.252788 0.81705 ] [ 0.516907 0.747212 0.18295 ] [ 0.483093 0.752788 0.68295 ] [ 0.983093 0.247212 0.31705 ] [ 0.016907 0.752788 0.68295 ] [ 0.516907 0.247212 0.31705 ] [ 0.483093 0.252788 0.81705 ] [ 0.983093 0.747212 0.18295 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52971951 "source-unit" "angstrom" } "b" { "source-value" 7.70994489 "source-unit" "angstrom" } "c" { "source-value" 10.42869783 "source-unit" "angstrom" } }